2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid
TL;DR: 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid (CAS 165549-76-8) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-(propan-2-yloxycarbothioylamino)benzoic acid
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoic acid, 2-chloro-5-(isopropoxycarbothioylamino)benzoic acid
Technical Specifications
| Molecular Formula | C11H12ClNO3S |
| Molecular Weight | 273.02264 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.02264 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O |
| InChIKey | UBBCFZSVFZOEMW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid
Property Insights of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid
The XLogP value of 3.2 indicates that 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid?
The CAS number of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid is 165549-76-8.
What is the molecular formula of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid?
The molecular formula of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid is C11H12ClNO3S.
What is the molecular weight of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid?
The molecular weight of 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid is 273.02264 g/mol.
Where can I buy 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid?
You can request a quote for 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.